4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one

C27H33N3O3 — CID 92766029

IUPAC4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2c(C)cc(O)c(C(c3ccc(C)cc3)N3CCN(C)CC3)c2=O)cc1
InChIInChI=1S/C27H33N3O3/c1-19-5-9-22(10-6-19)26(29-15-13-28(3)14-16-29)25-24(31)17-20(2)30(27(25)32)18-21-7-11-23(33-4)12-8-21/h5-12,17,26,31H,13-16,18H2,1-4H3
InChIKeyPZPDYEKUPFUZKJ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.56
Rot. Bonds6

About 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one

4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one (PubChem CID 92766029) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one
PubChem CID92766029
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2c(C)cc(O)c(C(c3ccc(C)cc3)N3CCN(C)CC3)c2=O)cc1
InChIInChI=1S/C27H33N3O3/c1-19-5-9-22(10-6-19)26(29-15-13-28(3)14-16-29)25-24(31)17-20(2)30(27(25)32)18-21-7-11-23(33-4)12-8-21/h5-12,17,26,31H,13-16,18H2,1-4H3
InChIKeyPZPDYEKUPFUZKJ-UHFFFAOYSA-N
XLogP3.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one with MolForge

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Related Compounds

1-benzyl-3-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766001
1-ethyl-3-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54729065
3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739575
1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 92766008
1-ethyl-4-hydroxy-6-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]pyridin-2-one
CID 93478801
3-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54739499
3-[(R)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739812
3-[(S)-(3,4-dimethoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54739813
4-hydroxy-6-methyl-3-[(4-methylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 54729189
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
3-[(R)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
CID 54739375
3-[(S)-(4-ethoxyphenyl)-piperidin-1-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 92713438

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one (CID 92766029) is 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one is COc1ccc(Cn2c(C)cc(O)c(C(c3ccc(C)cc3)N3CCN(C)CC3)c2=O)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
The InChIKey is PZPDYEKUPFUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-5-9-22(10-6-19)26(29-15-13-28(3)14-16-29)25-24(31)17-20(2)30(27(25)32)18-21-7-11-23(33-4)12-8-21/h5-12,17,26,31H,13-16,18H2,1-4H3.
What are the key properties of 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one?
4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one has a molecular weight of 447.58 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[(S)-(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 92766029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).